diethyl 2-[5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-nitro-phenyl]carbonyloxybutanedioate

Systemtic Name: diethyl 2-[5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-nitro-phenyl]carbonyloxybutanedioate Openeye Name: diethyl 2-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-benzoyl]oxybutanedioate CAS Name: 2-[[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrophenyl]-oxomethoxy]butanedioic acid diethyl ester IUPAC Name: diethyl 2-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoyl]oxybutanedioate Traditional Name: 2-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-benzoyl]oxysuccinic acid diethyl ester Formula: C22H19ClF3NO9 MolecularWeight: 533.83577

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C(=O)OCC)OC(=O)C1=C(C=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)Cl)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CC(C(=O)OCC)OC(=O)C1=C(C=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)Cl)[N+](=O)[O-]

InChI

InChI=1S/C22H19ClF3NO9/c1-3-33-19(28)11-18(21(30)34-4-2)36-20(29)14-10-13(6-7-16(14)27(31)32)35-17-8-5-12(9-15(17)23)22(24,25)26/h5-10,18H,3-4,11H2,1-2H3